CID 46855718

6-amino-5-methyl-2h-indazole-7-carboxylic acid

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CC1=CC2=C(C(=C1N)C(=O)O)NN=C2
InChI
InChI=1S/C9H9N3O2/c1-4-2-5-3-11-12-8(5)6(7(4)10)9(13)14/h2-3H,10H2,1H3,(H,11,12)(H,13,14)
InChIKey
SAWNFCCPPRARBZ-UHFFFAOYSA-N
Compound name
6-amino-5-methyl-1H-indazole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

191.06947 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 138.6
[M+Na]+ 214.058688 149.4
[M-H]- 190.062194 138.9
[M+NH4]+ 209.103293 157.1
[M+K]+ 230.032628 145.2
[M+H-H2O]+ 174.066730 132.4
[M+HCOO]- 236.067671 159.7
[M+CH3COO]- 250.083321 180.8
[M+Na-2H]- 212.044136 143.6
[M]+ 191.06892142 137.9
[M]- 191.07001858 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe